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Study of nonlinear optical response of trans ‐(CH) N with a chain length dependent screened potential
Author(s) -
Siregar Rustam E.,
Tjia May On
Publication year - 1999
Publication title -
macromolecular chemistry and physics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.57
H-Index - 112
eISSN - 1521-3935
pISSN - 1022-1352
DOI - 10.1002/(sici)1521-3935(19990501)200:5<1150::aid-macp1150>3.0.co;2-7
Subject(s) - polarizability , excited state , chemistry , excitation , molecular physics , nonlinear system , configuration interaction , chain (unit) , atomic physics , nonlinear optical , physics , quantum mechanics , molecule
A chain‐length dependent screening factor has been introduced in the Ohno potential for the study of nonlinear optical effects in trans ‐(CH) N within the general scheme of the Pariser‐Parr‐Pople π electron model without the restriction of zero differential overlap. It is shown that a calculation employing the much simpler scheme of single electron configuration interaction has produced the 1/ N behavior of the low‐lying excited energies of polyenes which conforms nicely to experimental results. It is also found that all the important features of the third harmonic generation (THG) spectrum known for N = 10 can be obtained in the same scheme on the basis of four low‐lying excitation states. The third‐order static polarizability calculated for varying N exhibits a growth following the power law N b with b = 3.23 for N ≤ 10. The excited state THG spectrum calculated for N = 10 also shows the general feature and enhancement factor consistent with those obtained previously by a different group.